![[(4-Butoxyphenyl)methylideneamino]thiourea structure](/static/products/100/100318-30-7.png)
[(4-Butoxyphenyl)methylideneamino]thiourea
TL;DR: [(4-Butoxyphenyl)methylideneamino]thiourea (CAS 100318-30-7) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-butoxyphenyl)methylideneamino]thiourea
Also Known As: 4-butoxy-benzaldehyde-thiosemicarbazone, [(4-butoxyphenyl)methylideneamino]thiourea
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.0326 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 375.84207 |
Chemical Identifiers
| CAS Number | 100318-30-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C=NNC(=S)N |
Product Overview
[(4-Butoxyphenyl)methylideneamino]thiourea (CAS 100318-30-7), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: [(4-butoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of [(4-Butoxyphenyl)methylideneamino]thiourea
Property Insights of [(4-Butoxyphenyl)methylideneamino]thiourea
The XLogP value of 2.0326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Butoxyphenyl)methylideneamino]thiourea. With a topological polar surface area (TPSA) of 59.64 Ų, [(4-Butoxyphenyl)methylideneamino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Butoxyphenyl)methylideneamino]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(4-Butoxyphenyl)methylideneamino]thiourea?
The CAS number of [(4-Butoxyphenyl)methylideneamino]thiourea is 100318-30-7.
What is the molecular formula of [(4-Butoxyphenyl)methylideneamino]thiourea?
The molecular formula of [(4-Butoxyphenyl)methylideneamino]thiourea is C12H17N3OS.
What is the molecular weight of [(4-Butoxyphenyl)methylideneamino]thiourea?
The molecular weight of [(4-Butoxyphenyl)methylideneamino]thiourea is 251.11 g/mol.
Where can I buy [(4-Butoxyphenyl)methylideneamino]thiourea?
You can request a quote for [(4-Butoxyphenyl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Butoxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(4-Butoxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.